First Principles Study of Electronic Structure and Magnetic Properties of TMH (TM = Cr, Mn, Fe, Co)‎

Joint Authors

Kanagaprabha, S.
Rajeswarapalanichamy, R.
Iyakutti, K.

Source

International Journal of Metals

Issue

Vol. 2013, Issue 2013 (31 Dec. 2013), pp.1-10, 10 p.

Publisher

Hindawi Publishing Corporation

Publication Date

2013-07-14

Country of Publication

Egypt

No. of Pages

10

Main Subjects

Earth Science , Water and Environment
Materials Science , Minerals

Abstract EN

First principles calculations are performed using a tight-binding linear muffin-tin orbital (TB-LMTO) method with local density approximation (LDA) and atomic sphere approximation (ASA) to understand the electronic properties of transition metal hydrides (TMH) (TM = Cr, Mn, Fe, Co).

The structural property, electronic structure, and magnetic properties are investigated.

A pressure induced structural phase transition from cubic to hexagonal phase is predicted at the pressures of 50 GPa for CrH and 23 GPa for CoH.

Also, magnetic phase transition is observed in FeH and CoH at the pressures of 10 GPa and 180 GPa, respectively.

American Psychological Association (APA)

Kanagaprabha, S.& Rajeswarapalanichamy, R.& Iyakutti, K.. 2013. First Principles Study of Electronic Structure and Magnetic Properties of TMH (TM = Cr, Mn, Fe, Co). International Journal of Metals،Vol. 2013, no. 2013, pp.1-10.
https://search.emarefa.net/detail/BIM-495240

Modern Language Association (MLA)

Kanagaprabha, S.…[et al.]. First Principles Study of Electronic Structure and Magnetic Properties of TMH (TM = Cr, Mn, Fe, Co). International Journal of Metals No. 2013 (2013), pp.1-10.
https://search.emarefa.net/detail/BIM-495240

American Medical Association (AMA)

Kanagaprabha, S.& Rajeswarapalanichamy, R.& Iyakutti, K.. First Principles Study of Electronic Structure and Magnetic Properties of TMH (TM = Cr, Mn, Fe, Co). International Journal of Metals. 2013. Vol. 2013, no. 2013, pp.1-10.
https://search.emarefa.net/detail/BIM-495240

Data Type

Journal Articles

Language

English

Notes

Includes bibliographical references

Record ID

BIM-495240